Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5adc6be29bedd8723bf7a59a36e65101",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.25,
"b": 78.73,
"c": 89.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.020,1.650],
"number_observations": 351402,
"number_observations_unique": 53143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 26288,
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.445
},
{
"type": "R(meas)",
"value": 2.642
},
{
"type": "R(pim)",
"value": 0.993
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [51.020,7.380],
"number_observations": 4304,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}